tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate

C16H30N2O6 — CID 129175449

IUPACtert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate
SMILESCC/C=C/C(=O)NCCOCCOCCONC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O6/c1-5-6-7-14(19)17-8-9-21-10-11-22-12-13-23-18-15(20)24-16(2,3)4/h6-7H,5,8-13H2,1-4H3,(H,17,19)(H,18,20)/b7-6+
InChIKeyPIINGSMXQZVWRE-VOTSOKGWSA-N
MW346.42 g/mol
LogP1.56
Rot. Bonds12

About tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate

tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate (PubChem CID 129175449) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate
PubChem CID129175449
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Nametert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate
SMILESCC/C=C/C(=O)NCCOCCOCCONC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O6/c1-5-6-7-14(19)17-8-9-21-10-11-22-12-13-23-18-15(20)24-16(2,3)4/h6-7H,5,8-13H2,1-4H3,(H,17,19)(H,18,20)/b7-6+
InChIKeyPIINGSMXQZVWRE-VOTSOKGWSA-N
XLogP1.56
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate (CID 129175449) is tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate is CC/C=C/C(=O)NCCOCCOCCONC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate?
The InChIKey is PIINGSMXQZVWRE-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-5-6-7-14(19)17-8-9-21-10-11-22-12-13-23-18-15(20)24-16(2,3)4/h6-7H,5,8-13H2,1-4H3,(H,17,19)(H,18,20)/b7-6+.
What are the key properties of tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate?
tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate has a molecular weight of 346.42 g/mol, XLogP of 1.56, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[[(E)-pent-2-enoyl]amino]ethoxy]ethoxy]ethoxy]carbamate is sourced from PubChem (CID 129175449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).